1-Pentanol, 3-methyl-, 1-propanoate
TL;DR: 1-Pentanol, 3-methyl-, 1-propanoate (CAS 39230-59-6) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentyl propanoate
Also Known As: 3-Methylpentyl propionate, 3-methylpentyl propanoate, 3-methylpentylpropionate, 3-methyl pentyl propionate, EINECS 254-367-9
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.3758 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.13036 |
Chemical Identifiers
| CAS Number | 39230-59-6 |
|---|---|
| SMILES | CCC(C)CCOC(=O)CC |
Product Overview
1-Pentanol, 3-methyl-, 1-propanoate (CAS 39230-59-6), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-methylpentyl propanoate.
Chemical Property Profile of 1-Pentanol, 3-methyl-, 1-propanoate
Property Insights of 1-Pentanol, 3-methyl-, 1-propanoate
The XLogP value of 2.3758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanol, 3-methyl-, 1-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Pentanol, 3-methyl-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentanol, 3-methyl-, 1-propanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pentanol, 3-methyl-, 1-propanoate?
The CAS number of 1-Pentanol, 3-methyl-, 1-propanoate is 39230-59-6.
What is the molecular formula of 1-Pentanol, 3-methyl-, 1-propanoate?
The molecular formula of 1-Pentanol, 3-methyl-, 1-propanoate is C9H18O2.
What is the molecular weight of 1-Pentanol, 3-methyl-, 1-propanoate?
The molecular weight of 1-Pentanol, 3-methyl-, 1-propanoate is 158.13 g/mol.
Where can I buy 1-Pentanol, 3-methyl-, 1-propanoate?
You can request a quote for 1-Pentanol, 3-methyl-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentanol, 3-methyl-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanol, 3-methyl-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.